4-[4-(4-methylphenoxy)-1,2,5-thiadiazol-3-yl]morpholine

C13H15N3O2S — CID 641399

IUPAC4-[4-(4-methylphenoxy)-1,2,5-thiadiazol-3-yl]morpholine
SMILESCc1ccc(Oc2nsnc2N2CCOCC2)cc1
InChIInChI=1S/C13H15N3O2S/c1-10-2-4-11(5-3-10)18-13-12(14-19-15-13)16-6-8-17-9-7-16/h2-5H,6-9H2,1H3
InChIKeyPKSXAXRJCTVGAD-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.48
Rot. Bonds3

About 4-[4-(4-methylphenoxy)-1,2,5-thiadiazol-3-yl]morpholine

4-[4-(4-methylphenoxy)-1,2,5-thiadiazol-3-yl]morpholine (PubChem CID 641399) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 4-[4-(4-methylphenoxy)-1,2,5-thiadiazol-3-yl]morpholine.

Molecular Properties

Compound Name4-[4-(4-methylphenoxy)-1,2,5-thiadiazol-3-yl]morpholine
PubChem CID641399
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name4-[4-(4-methylphenoxy)-1,2,5-thiadiazol-3-yl]morpholine
SMILESCc1ccc(Oc2nsnc2N2CCOCC2)cc1
InChIInChI=1S/C13H15N3O2S/c1-10-2-4-11(5-3-10)18-13-12(14-19-15-13)16-6-8-17-9-7-16/h2-5H,6-9H2,1H3
InChIKeyPKSXAXRJCTVGAD-UHFFFAOYSA-N
XLogP2.48
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(4-Bromophenoxy)-1,2,5-thiadiazol-3-yl]morpholine
CID 641401
4-[4-(Benzyloxy)-1,2,5-thiadiazol-3-yl]morpholine
CID 1088923
4-(4-Phenoxy-1,2,5-thiadiazol-3-yl)morpholine
CID 641396
2-Fluorobenzyl 4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl ether
CID 16643986
4-[4-(4-Methoxyphenoxy)-1,2,5-thiadiazol-3-yl]morpholine
CID 641400
3-[(4-Fluorophenyl)methoxy]-4-piperidin-1-yl-1,2,5-thiadiazole
CID 43949506
3-[(2-Fluorophenyl)methoxy]-4-piperidin-1-yl-1,2,5-thiadiazole
CID 43949529
3-[(3-Fluorophenyl)methoxy]-4-piperidin-1-yl-1,2,5-thiadiazole
CID 43949532
4-[4-[(4-Fluorophenyl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine
CID 43949536
4-[4-[(3-Fluorophenyl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine
CID 43949553
3-[(4-Fluorophenyl)methoxy]-4-(2-methylpiperidin-1-yl)-1,2,5-thiadiazole
CID 43949590
3-[(2-Fluorophenyl)methoxy]-4-(2-methylpiperidin-1-yl)-1,2,5-thiadiazole
CID 43949613

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methylphenoxy)-1,2,5-thiadiazol-3-yl]morpholine?
The IUPAC name of 4-[4-(4-methylphenoxy)-1,2,5-thiadiazol-3-yl]morpholine (CID 641399) is 4-[4-(4-methylphenoxy)-1,2,5-thiadiazol-3-yl]morpholine.
What is the SMILES notation for 4-[4-(4-methylphenoxy)-1,2,5-thiadiazol-3-yl]morpholine?
The canonical SMILES for 4-[4-(4-methylphenoxy)-1,2,5-thiadiazol-3-yl]morpholine is Cc1ccc(Oc2nsnc2N2CCOCC2)cc1.
What is the InChIKey of 4-[4-(4-methylphenoxy)-1,2,5-thiadiazol-3-yl]morpholine?
The InChIKey is PKSXAXRJCTVGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-10-2-4-11(5-3-10)18-13-12(14-19-15-13)16-6-8-17-9-7-16/h2-5H,6-9H2,1H3.
What are the key properties of 4-[4-(4-methylphenoxy)-1,2,5-thiadiazol-3-yl]morpholine?
4-[4-(4-methylphenoxy)-1,2,5-thiadiazol-3-yl]morpholine has a molecular weight of 277.35 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methylphenoxy)-1,2,5-thiadiazol-3-yl]morpholine is sourced from PubChem (CID 641399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).